Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | PFKFB3 | Q16875 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | CD38 | P28907 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2022299 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HTTXBP1TAS1R3TAS1R1 | |
| SCHEMBL12574543 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HTTXBP1TAS1R3TAS1R1 | |
| SCHEMBL2015637 | 0.75 | KDM4E (0.44) | ALDH1A1HTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL2017629 | 0.70 | IKBKB (0.35) | — | |
| SCHEMBL2020824 | 0.69 | ALDH1A1 (0.35) | ALDH1A1HTTXBP1RAB9ASPR | |
| SCHEMBL2017025 | 0.67 | RAB9A (0.39) | ALDH1A1HTTXBP1TAS1R3TAS1R1 | |
| SCHEMBL3053926 | 0.66 | CHRNB2 (0.60) | ALDH1A1HTTXBP1RAB9A | |
| SCHEMBL12182270 | 0.66 | CHRNB2 (0.60) | ALDH1A1HTTXBP1RAB9A | |
| SCHEMBL12182299 | 0.66 | CHRNB2 (0.60) | ALDH1A1HTTXBP1RAB9A | |
| SCHEMBL2024607 | 0.65 | MAOA (0.38) | ALDH1A1HTTXBP1SPR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8338591-B2 | 3-aryl-5,6-disubstituted pyridazines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-12-25 | — | — | US | disclosed |
| US-8338591-B2 | 3-aryl-5,6-disubstituted pyridazines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-12-25 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | NEUROGEN CORPORATION (US) | 2011-06-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110160187-A1 | 3-aryl-5,6-disubstituted pyridazines | MMP25, MMP9, MMP3 | ALDH1A1 403/4885HTT 3469/4885XBP1 3930/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.